methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate

C13H16O6 — CID 170874053

IUPACmethyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)cc(OC)c1C1OCCO1
InChIInChI=1S/C13H16O6/c1-15-8-6-9(12(14)17-3)11(10(7-8)16-2)13-18-4-5-19-13/h6-7,13H,4-5H2,1-3H3
InChIKeyIALXZEXHPDNNBG-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.54
Rot. Bonds4

About methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate

methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate (PubChem CID 170874053) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate
PubChem CID170874053
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Namemethyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)cc(OC)c1C1OCCO1
InChIInChI=1S/C13H16O6/c1-15-8-6-9(12(14)17-3)11(10(7-8)16-2)13-18-4-5-19-13/h6-7,13H,4-5H2,1-3H3
InChIKeyIALXZEXHPDNNBG-UHFFFAOYSA-N
XLogP1.54
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 142693317
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methyl 3,5-dimethoxy-2-propanoylbenzoate
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dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
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methyl 2-[(4R)-3-cyano-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinolin-4-yl]-3,5-dimethoxybenzoate
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methyl 4-[(1S)-4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dimethoxybenzoate
CID 5324642
(E)-3-(2,4-dimethoxy-6-methoxycarbonylphenyl)-2-methylprop-2-enoic acid
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2-(2-methylpropanoyl)-5-(2,4,6-trimethoxyphenyl)cyclohexane-1,3-dione
CID 52950803
methyl 3,5-dimethoxy-2-[(5R)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-b]pyran-3-carbonyl]benzoate
CID 132558474
(2,5-dimethoxyphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
CID 24723535
4-(1,3-dioxolan-2-yl)-5,7-dimethoxychromen-2-one
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methyl 3-iodo-2,5-dimethoxybenzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate?
The IUPAC name of methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate (CID 170874053) is methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate is COC(=O)c1cc(OC)cc(OC)c1C1OCCO1.
What is the InChIKey of methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate?
The InChIKey is IALXZEXHPDNNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O6/c1-15-8-6-9(12(14)17-3)11(10(7-8)16-2)13-18-4-5-19-13/h6-7,13H,4-5H2,1-3H3.
What are the key properties of methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate?
methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate has a molecular weight of 268.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate is sourced from PubChem (CID 170874053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).